(7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

C19H16FN3O2S — CID 1386632

IUPAC(7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCOc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc(F)c2)CN=3)cc1
InChIInChI=1S/C19H16FN3O2S/c1-25-16-7-5-13(6-8-16)9-17-18(24)23-12-22(11-21-19(23)26-17)15-4-2-3-14(20)10-15/h2-10H,11-12H2,1H3/b17-9-
InChIKeyPRRVEKWVCYHNJG-MFOYZWKCSA-N
MW369.42 g/mol
LogP1.94
Rot. Bonds3

About (7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

(7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 1386632) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is (7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name(7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID1386632
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name(7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCOc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc(F)c2)CN=3)cc1
InChIInChI=1S/C19H16FN3O2S/c1-25-16-7-5-13(6-8-16)9-17-18(24)23-12-22(11-21-19(23)26-17)15-4-2-3-14(20)10-15/h2-10H,11-12H2,1H3/b17-9-
InChIKeyPRRVEKWVCYHNJG-MFOYZWKCSA-N
XLogP1.94
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of (7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 1386632) is (7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for (7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for (7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is COc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc(F)c2)CN=3)cc1.
What is the InChIKey of (7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is PRRVEKWVCYHNJG-MFOYZWKCSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c1-25-16-7-5-13(6-8-16)9-17-18(24)23-12-22(11-21-19(23)26-17)15-4-2-3-14(20)10-15/h2-10H,11-12H2,1H3/b17-9-.
What are the key properties of (7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
(7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 369.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 1386632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).